Information card for entry 4115143

Structure parameters

• Formula: C15 H22 Cl Co N5 O10 P
• Calculated formula: C15 H18 Cl Co N5 O10 P
• SMILES: [Co]123(OP(=O)(OC)OC)(OC(=O)c4cccc(N)[n]14)[NH2]Cc1cccc(C[NH2]2)[n]31.Cl(=O)(=O)(=O)[O-]
• Title of publication: Synergistic Effect between Metal Coordination and Hydrogen Bonding in Phosphate and Halide Recognition
• Authors of publication: Jik Chin; Suhman Chung; Dong H. Kim
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 10948 - 10949
• a: 17.5069 ± 0.0006 Å
• b: 31.2182 ± 0.0011 Å
• c: 16.0615 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8778.2 ± 0.5 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 7
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1597
• Weighted residual factors for all reflections included in the refinement: 0.1654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No